| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.1 | Very low | 33.1 | Very low | 251 Ų | 251 | 129.1 Ų | 129.1 | 100% | 1.236 | 83% | 0.826 | S | S | * | * | 0 | 131.5 | 0 | -65.3 | 162.6 | 162.8 | 0 | 0 | 107 | |||||
| 2 | S | 36.3 | Very low | 32.9 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -67.3 | 166.8 | -160.7 | -87 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | S | 34.7 | Very low | 32.8 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | 90 | 125.4 | 153.7 | -63.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 4 | G | 33.3 | Very low | 32.4 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | cis | 144.4 | 124.3 | 4.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | S | 35.6 | Very low | 32 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | trans | 56.8 | 116.4 | 158.1 | -142.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 6 | G | 34.9 | Very low | 32.3 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | 119.5 | 149.5 | 74.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 7 | E | 38 | Very low | 32.7 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | cis | -168.7 | 141.2 | 5 | -176.4 | 175.6 | 83.3 | 0 | 0 | 107.7 | ||||
| 8 | T | 29.8 | Very low | 32.3 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 68% | 0.675 | 82% | 0.818 | S | S | * | * | trans | 56.5 | 113.6 | 154.2 | 57.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 9 | T | 29.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | 81.3 | 100.6 | 63.5 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 10 | T | 27.9 | Very low | 32.5 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | 62.6 | 127.4 | 101 | -9.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 11 | V | 28.9 | Very low | 32.2 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | 174.6 | 119.5 | 75 | 173.4 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 12 | K | 30.6 | Very low | 32.3 | Very low | 184 Ų | 184 | 122.7 Ų | 122.7 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | 57.2 | 116.6 | 95.7 | -167.9 | 177 | 176.4 | 172.6 | 0 | 116.7 | |||||
| 13 | T | 32.5 | Very low | 32.1 | Very low | 134 Ų | 134 | 121.5 Ų | 121.5 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 39.9 | 133.4 | 140 | -52.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 14 | G | 26.6 | Very low | 32.5 | Very low | 68 Ų | 68 | 121.2 Ų | 121.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 152.7 | 134.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 15 | E | 27.3 | Very low | 32.3 | Very low | 190 Ų | 190 | 122.6 Ų | 122.6 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -63.7 | 149.2 | -179.2 | -74.7 | 147.9 | 66.1 | 0 | 0 | 116 | ||||
| 16 | T | 35.9 | Very low | 32.2 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -12 | 135.9 | 149.5 | -61 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 17 | P | 40 | Very low | 32.6 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -155.3 | 157 | 81.5 | 37.9 | -16.8 | 0 | 0 | 0 | 118.1 | |||||
| 18 | A | 24.4 | Very low | 32.6 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 154.1 | 120.1 | 131.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 19 | A | 33.7 | Very low | 33 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | -86 | 156.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 20 | P | 35.5 | Very low | 33.3 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -140.8 | 165.1 | 73.6 | 30.9 | -9 | 0 | 0 | 0 | 111.7 | |||||
| 21 | D | 26.6 | Very low | 33.6 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | 179.2 | 153.2 | 73.2 | -175.8 | -129.5 | 0 | 0 | 0 | 109.2 | |||||
| 22 | S | 35.8 | Very low | 34.8 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -95.6 | 160.5 | -174.9 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 23 | A | 33.7 | Very low | 35.5 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 121.2 | 158.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 24 | P | 42.1 | Very low | 36 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | -117.3 | 124.3 | -110.9 | 25.2 | -3.5 | 0 | 0 | 0 | 113 | K26 | P24-K26 PolarHBondContact O-N 2.98Š| |||
| 25 | A | 30.3 | Very low | 37 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -97 | 95.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 26 | K | 31.5 | Very low | 38.2 | Very low | 195 Ų | 195 | 127.1 Ų | 127.1 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 41.6 | 100.9 | 143.1 | -52.4 | -65.2 | -178.3 | 177.6 | 0 | 117.2 | P24 G28 | P24-K26 PolarHBondContact O-N 2.98Å; K26-G28 PolarHBondContact O-N 3.31Å | ||
| 27 | Q | 45.2 | Very low | 38.5 | Very low | 212 Ų | 212 | 127.6 Ų | 127.6 | 99% | 0.991 | 77% | 0.767 | S | S | * | * | trans | -65.7 | 96.3 | 165.5 | -62.2 | 175.9 | 23 | 0 | 0 | 110.1 | ||||
| 28 | G | 36.8 | Very low | 38.7 | Very low | 54 Ų | 54 | 124.5 Ų | 124.5 | 56% | 0.557 | 75% | 0.746 | S | S | * | * | trans | -95.6 | 124.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | K26 K30 | K26-G28 PolarHBondContact O-N 3.31Å; G28-K30 PolarHBondContact O-N 3.19Å | ||
| 29 | W | 37.9 | Very low | 40 | Very low | 182 Ų | 182 | 124.2 Ų | 124.2 | 69% | 0.689 | 73% | 0.727 | S | S | * | * | trans | -54.2 | 114 | 178.5 | -139.7 | -72.7 | 0 | 0 | 0 | 111 | H143 | W29-H143 AromaticContact CH2-ND1 3.81Å; W29-H143 AromaticContact CZ2-CE1 3.54Å; W29-H143 AromaticContact CZ2-ND1 3.16Å; W29-H143 WeakPolarHBondContact CZ2-ND1 3.16Å | ||
| 30 | K | 36.4 | Very low | 40.8 | Very low | 189 Ų | 189 | 128.1 Ų | 128.1 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -98.4 | 125.1 | 168.8 | -81 | 110 | 179.7 | -79.4 | 0 | 109.5 | G28 | G28-K30 PolarHBondContact O-N 3.19Š| ||
| 31 | C | 34.6 | Very low | 41.6 | Very low | 96 Ų | 96 | 126 Ų | 126 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | trans | -68.1 | 140.7 | 174 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | L33 | C31-L33 PolarHBondContact O-N 3.04Š| ||
| 32 | P | 52.3 | Low | 42.8 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 84% | 0.844 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 34.4 | -175 | 34.2 | -35.8 | 0 | 0 | 0 | 113.7 | ||
| 33 | L | 46.8 | Very low | 43.6 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 88% | 0.88 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 18.9 | 173.8 | -143.7 | 78 | 0 | 0 | 0 | 113.1 | C31 | C31-L33 PolarHBondContact O-N 3.04Š|
| 34 | S | 43 | Very low | 44.7 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 62% | 0.622 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -105.6 | 5.9 | 170.1 | -74.1 | 0 | 0 | 0 | 0 | 113.6 | A36 V38 | S34-A36 VanDerWaalsContact C-N 3.34Å; S34-A36 PolarHBondContact O-N 2.9Å; S34-V38 WeakPolarHBondContact O-CG2 3Å |
| 35 | D | 48.1 | Very low | 45.4 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -82.3 | -11.3 | -174.9 | -144.8 | -106.1 | 0 | 0 | 0 | 113.8 | ||
| 36 | A | 50.5 | Low | 46.5 | Very low | 96 Ų | 96 | 121.2 Ų | 121.2 | 79% | 0.793 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -80.1 | -23.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S34 | S34-A36 VanDerWaalsContact C-N 3.34Å; S34-A36 PolarHBondContact O-N 2.9Å |
| 37 | H | 43.8 | Very low | 47.6 | Very low | 141 Ų | 141 | 119 Ų | 119 | 65% | 0.653 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -85.1 | -42.7 | 179 | -154.2 | -62.1 | 0 | 0 | 0 | 110.7 | H39 R40 E41 | H37-H39 PolarHBondContact O-N 3.48Å; H37-R40 PolarHBondContact O-N 2.99Å; H37-R40 VanDerWaalsContact O-N 3.14Å; H37-E41 IonicContact CE1-OE1 2.73Å; H37-E41 IonicContact CE1-OE2 3.8Å; H37-E41 IonicContact CG-OE1 3.45Å; H37-E41 IonicContact ND1-OE1 3.79Å; H37-E41 PolarHBondContact ND1-OE1 3.43Å; H37-E41 IonicContact ND1-OE2 2.83Å; H37-E41 PolarHBondContact ND1-OE2 3.49Å |
| 38 | V | 43.8 | Very low | 48.1 | Very low | 56 Ų | 56 | 115.9 Ų | 115.9 | 34% | 0.339 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -56.6 | -33.8 | 179.7 | 168.9 | 0 | 0 | 0 | 0 | 112.4 | S34 R40 E41 D42 | S34-V38 WeakPolarHBondContact O-CG2 3Å; V38-R40 PolarHBondContact O-N 3.31Å; V38-R40 VanDerWaalsContact O-N 3.11Å; V38-E41 WeakPolarHBondContact CA-OE1 3.33Å; V38-E41 PolarHBondContact N-OE1 3.38Å; V38-E41 WeakPolarHBondContact O-CG 3.32Å; V38-E41 PolarHBondContact O-N 3.37Å; V38-D42 WeakPolarHBondContact CG1-OD2 3.37Å; V38-D42 WeakPolarHBondContact O-CB 3.1Å; V38-D42 PolarHBondContact O-N 3.05Å |
| 39 | H | 51.1 | Low | 48.8 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 44% | 0.435 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.3 | -22.1 | -179.3 | -141.1 | -69.3 | 0 | 0 | 0 | 114.4 | H37 V43 | H37-H39 PolarHBondContact O-N 3.48Å; H39-V43 WeakPolarHBondContact O-CB 3.39Å; H39-V43 WeakPolarHBondContact O-CG2 3.14Å; H39-V43 PolarHBondContact O-N 3.03Å |
| 40 | R | 51.1 | Low | 49.6 | Very low | 179 Ų | 179 | 111.2 Ų | 111.2 | 68% | 0.675 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -89.1 | -35.3 | 179.2 | -168.7 | 178.8 | 164.5 | 143.9 | -2.6 | 112.8 | H37 V38 R44 | H37-R40 PolarHBondContact O-N 2.99Å; H37-R40 VanDerWaalsContact O-N 3.14Å; V38-R40 PolarHBondContact O-N 3.31Å; V38-R40 VanDerWaalsContact O-N 3.11Å; R40-R44 VanDerWaalsContact O-CB 3.31Å; R40-R44 WeakPolarHBondContact O-CB 3.42Å; R40-R44 PolarHBondContact O-N 3.25Å; R40-R44 VanDerWaalsContact O-N 3.16Å |
| 41 | E | 51.8 | Low | 50.3 | Low | 77 Ų | 77 | 107.7 Ų | 107.7 | 36% | 0.36 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.8 | -39.5 | 173.2 | 29.9 | -89.2 | -177.3 | 0 | 0 | 111.6 | H37 V38 R44 K45 | H37-E41 IonicContact CE1-OE1 2.73Å; H37-E41 IonicContact CE1-OE2 3.8Å; H37-E41 IonicContact CG-OE1 3.45Å; H37-E41 IonicContact ND1-OE1 3.79Å; H37-E41 PolarHBondContact ND1-OE1 3.43Å; H37-E41 IonicContact ND1-OE2 2.83Å; H37-E41 PolarHBondContact ND1-OE2 3.49Å; V38-E41 WeakPolarHBondContact CA-OE1 3.33Å; V38-E41 PolarHBondContact N-OE1 3.38Å; V38-E41 WeakPolarHBondContact O-CG 3.32Å; V38-E41 PolarHBondContact O-N 3.37Å; E41-R44 CarbonylContact O-C 3.5Å; E41-R44 PolarHBondContact O-N 3.49Å; E41-K45 WeakPolarHBondContact O-CB 3.27Å; E41-K45 PolarHBondContact O-N 2.87Å |
| 42 | D | 51.6 | Low | 51 | Low | 80 Ų | 80 | 110.2 Ų | 110.2 | 43% | 0.428 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.1 | -39.9 | 177.6 | -70.9 | -25.3 | 0 | 0 | 0 | 111.9 | V38 R44 K45 V46 | V38-D42 WeakPolarHBondContact CG1-OD2 3.37Å; V38-D42 WeakPolarHBondContact O-CB 3.1Å; V38-D42 PolarHBondContact O-N 3.05Å; D42-R44 VanDerWaalsContact C-N 3.27Å; D42-R44 PolarHBondContact O-N 2.91Å; D42-K45 PolarHBondContact O-N 3.35Å; D42-V46 WeakPolarHBondContact O-CB 3.46Å; D42-V46 VanDerWaalsContact O-CG2 3.28Å; D42-V46 WeakPolarHBondContact O-CG2 3.24Å; D42-V46 PolarHBondContact O-N 3.47Å |
| 43 | V | 53.6 | Low | 50.7 | Low | 59 Ų | 59 | 111 Ų | 111 | 36% | 0.358 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 170.4 | 168 | 0 | 0 | 0 | 0 | 111.2 | H39 W47 F114 | H39-V43 WeakPolarHBondContact O-CB 3.39Å; H39-V43 WeakPolarHBondContact O-CG2 3.14Å; H39-V43 PolarHBondContact O-N 3.03Å; V43-W47 WeakPolarHBondContact O-CB 3.29Å; V43-W47 PolarHBondContact O-N 3.37Å; V43-F114 HydrophobicContact CG2-CE1 4.5Å |
| 44 | R | 56.6 | Low | 50.6 | Low | 136 Ų | 136 | 104.4 Ų | 104.4 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72 | -32.2 | 178.1 | -175.1 | -178.3 | -73.5 | 156.7 | -10.6 | 112.6 | R40 E41 D42 K48 | R40-R44 VanDerWaalsContact O-CB 3.31Å; R40-R44 WeakPolarHBondContact O-CB 3.42Å; R40-R44 PolarHBondContact O-N 3.25Å; R40-R44 VanDerWaalsContact O-N 3.16Å; E41-R44 CarbonylContact O-C 3.5Å; E41-R44 PolarHBondContact O-N 3.49Å; D42-R44 VanDerWaalsContact C-N 3.27Å; D42-R44 PolarHBondContact O-N 2.91Å; R44-K48 PolarHBondContact O-N 2.94Å |
| 45 | K | 56.6 | Low | 50.7 | Low | 137 Ų | 137 | 106.5 Ų | 106.5 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -75.7 | -46.7 | -179.7 | -157.4 | 177.7 | -175.3 | -169.5 | 0 | 110.8 | E41 D42 W47 K48 E49 | E41-K45 WeakPolarHBondContact O-CB 3.27Å; E41-K45 PolarHBondContact O-N 2.87Å; D42-K45 PolarHBondContact O-N 3.35Å; K45-W47 VanDerWaalsContact C-N 3.25Å; K45-W47 PolarHBondContact O-N 3.38Å; K45-K48 WeakPolarHBondContact O-CB 3.43Å; K45-K48 PolarHBondContact O-N 2.82Å; K45-E49 PolarHBondContact O-N 3.47Å |
| 46 | V | 54.2 | Low | 50.4 | Low | 66 Ų | 66 | 110 Ų | 110 | 40% | 0.4 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.2 | -27 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | D42 K48 E49 C50 F114 | D42-V46 WeakPolarHBondContact O-CB 3.46Å; D42-V46 VanDerWaalsContact O-CG2 3.28Å; D42-V46 WeakPolarHBondContact O-CG2 3.24Å; D42-V46 PolarHBondContact O-N 3.47Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.48Å; V46-E49 PolarHBondContact O-N 3.41Å; V46-C50 WeakPolarHBondContact O-CB 3.39Å; V46-C50 PolarHBondContact O-N 2.82Å; V46-F114 VanDerWaalsContact C-CZ 3.5Å; V46-F114 HydrophobicContact CB-CE1 3.44Å; V46-F114 VanDerWaalsContact CB-CE1 3.44Å; V46-F114 HydrophobicContact CB-CE2 4.15Å; V46-F114 HydrophobicContact CB-CZ 3.18Å; V46-F114 HydrophobicContact CG1-CD1 4.39Å; V46-F114 HydrophobicContact CG1-CD2 4.4Å; V46-F114 HydrophobicContact CG1-CE1 3.47Å; V46-F114 VanDerWaalsContact CG1-CE1 3.47Å; V46-F114 HydrophobicContact CG1-CE2 3.49Å; V46-F114 VanDerWaalsContact CG1-CE2 3.49Å; V46-F114 HydrophobicContact CG1-CZ 3Å; V46-F114 HydrophobicContact CG2-CE1 4.32Å; V46-F114 HydrophobicContact CG2-CZ 4.44Å |
| 47 | W | 53.9 | Low | 50.1 | Low | 149 Ų | 149 | 115.2 Ų | 115.2 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -36.6 | 169.8 | -177.9 | -77.4 | 0 | 0 | 0 | 112 | V43 K45 Q51 I107 | V43-W47 WeakPolarHBondContact O-CB 3.29Å; V43-W47 PolarHBondContact O-N 3.37Å; K45-W47 VanDerWaalsContact C-N 3.25Å; K45-W47 PolarHBondContact O-N 3.38Å; W47-Q51 WeakPolarHBondContact O-CG 3.4Å; W47-Q51 PolarHBondContact O-N 3.41Å; W47-I107 HydrophobicContact CH2-CG2 4.38Å |
| 48 | K | 55.9 | Low | 50.4 | Low | 145 Ų | 145 | 118 Ų | 118 | 63% | 0.63 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74 | -40.8 | 175.6 | -74 | -177 | 175.5 | -176.8 | 0 | 111.9 | R44 K45 V46 Q51 E52 | R44-K48 PolarHBondContact O-N 2.94Å; K45-K48 WeakPolarHBondContact O-CB 3.43Å; K45-K48 PolarHBondContact O-N 2.82Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.48Å; K48-Q51 WeakPolarHBondContact O-CB 3.47Å; K48-Q51 PolarHBondContact O-N 2.81Å; K48-Q51 VanDerWaalsContact O-N 3.09Å; K48-E52 PolarHBondContact O-N 2.9Å |
| 49 | E | 52.1 | Low | 50.6 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.3 | -34.7 | 175.7 | -66.6 | -155.7 | 172.9 | 0 | 0 | 112.9 | K45 V46 Q51 E52 E53 | K45-E49 PolarHBondContact O-N 3.47Å; V46-E49 PolarHBondContact O-N 3.41Å; E49-Q51 PolarHBondContact O-N 2.85Å; E49-E52 PolarHBondContact O-N 2.64Å; E49-E53 PolarHBondContact O-N 2.82Å |
| 50 | C | 53.5 | Low | 50.5 | Low | 24 Ų | 24 | 115.3 Ų | 115.3 | 16% | 0.162 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -70.4 | -9.6 | 170.8 | -166.6 | 0 | 0 | 0 | 0 | 113.1 | V46 S54 C110 | V46-C50 WeakPolarHBondContact O-CB 3.39Å; V46-C50 PolarHBondContact O-N 2.82Å; C50-S54 WeakPolarHBondContact O-CB 3.44Å; C50-C110 WeakPolarHBondContact CB-SG 3.31Å; C50-C110 WeakPolarHBondContact SG-CB 3.35Å; C50-C110 CovalentContact SG-SG 2.05Å; C50-C110 PolarHBondContact SG-SG 2.89Å |
| 51 | Q | 50.8 | Low | 50.4 | Low | 114 Ų | 114 | 111 Ų | 111 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -85.3 | -29.3 | 165.6 | -78.5 | -69 | -81.7 | 0 | 0 | 112.1 | W47 K48 E49 | W47-Q51 WeakPolarHBondContact O-CG 3.4Å; W47-Q51 PolarHBondContact O-N 3.41Å; K48-Q51 WeakPolarHBondContact O-CB 3.47Å; K48-Q51 PolarHBondContact O-N 2.81Å; K48-Q51 VanDerWaalsContact O-N 3.09Å; E49-Q51 PolarHBondContact O-N 2.85Å |
| 52 | E | 50.9 | Low | 50.3 | Low | 149 Ų | 149 | 113.3 Ų | 113.3 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -91.4 | -45.5 | -170.5 | -160.4 | 153.8 | 87.6 | 0 | 0 | 112.5 | K48 E49 | K48-E52 PolarHBondContact O-N 2.9Å; E49-E52 PolarHBondContact O-N 2.64Å |
| 53 | E | 45.4 | Very low | 50.3 | Low | 146 Ų | 146 | 112.2 Ų | 112.2 | 68% | 0.682 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -76.1 | -29.1 | -177.4 | -75.4 | -69.8 | 113.7 | 0 | 0 | 113.8 | E49 | E49-E53 PolarHBondContact O-N 2.82Š|
| 54 | S | 45.3 | Very low | 50.4 | Low | 30 Ų | 30 | 113.9 Ų | 113.9 | 21% | 0.21 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -83.2 | -26.4 | -167.4 | -104.7 | 0 | 0 | 0 | 0 | 112 | C50 W56 A59 Y106 | C50-S54 WeakPolarHBondContact O-CB 3.44Å; S54-W56 VanDerWaalsContact C-N 3.28Å; S54-W56 PolarHBondContact O-N 2.81Å; S54-A59 WeakPolarHBondContact O-CB 3.25Å; S54-Y106 WeakPolarHBondContact CA-OH 2.77Å; S54-Y106 WeakPolarHBondContact CB-OH 3.09Å; S54-Y106 PolarHBondContact O-OH 3.11Å; S54-Y106 PolarHBondContact OG-OH 3.19Å |
| 55 | F | 44.3 | Very low | 50.6 | Low | 133 Ų | 133 | 108.8 Ų | 108.8 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -30.3 | 175.2 | -163.8 | -100.7 | 0 | 0 | 0 | 112.7 | ||
| 56 | W | 41.3 | Very low | 50.3 | Low | 183 Ų | 183 | 105.3 Ų | 105.3 | 69% | 0.693 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -97.1 | -33.3 | -166.4 | -95.3 | 81.8 | 0 | 0 | 0 | 116.5 | S54 | S54-W56 VanDerWaalsContact C-N 3.28Å; S54-W56 PolarHBondContact O-N 2.81Å |
| 57 | Y | 45.5 | Very low | 50.1 | Low | 207 Ų | 207 | 109.3 Ų | 109.3 | 81% | 0.812 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -112 | -6.5 | -170.3 | -98.2 | -86 | 0 | 0 | 0 | 116.9 | ||
| 58 | R | 49.6 | Very low | 50.2 | Low | 200 Ų | 200 | 105.3 Ų | 105.3 | 76% | 0.755 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.6 | -21.8 | 177 | -118.3 | 171.2 | 175.5 | 132.3 | -2.8 | 115.4 | ||
| 59 | A | 47.6 | Very low | 50.3 | Low | 28 Ų | 28 | 102.8 Ų | 102.8 | 23% | 0.231 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -83.2 | -31.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S54 S63 | S54-A59 WeakPolarHBondContact O-CB 3.25Å; A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.46Å; A59-S63 PolarHBondContact O-OG 3.37Å |
| 60 | L | 49.1 | Very low | 50.3 | Low | 64 Ų | 64 | 100.8 Ų | 100.8 | 34% | 0.335 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.6 | -49.9 | 179.6 | -83.7 | 165.4 | 0 | 0 | 0 | 115.1 | L62 S63 V64 | L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 2.87Å; L60-S63 PolarHBondContact O-N 2.76Å; L60-S63 PolarHBondContact O-OG 3.47Å; L60-S63 VanDerWaalsContact O-OG 3.14Å; L60-V64 VanDerWaalsContact O-CB 3.3Å; L60-V64 WeakPolarHBondContact O-CB 3.27Å; L60-V64 VanDerWaalsContact O-CG2 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 2.81Å |
| 61 | P | 47.9 | Very low | 50.2 | Low | 88 Ų | 88 | 101.4 Ų | 101.4 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.8 | -29.9 | -179.7 | 22.8 | -31.1 | 0 | 0 | 0 | 112.5 | G65 | P61-G65 WeakPolarHBondContact O-CA 3.17Å; P61-G65 PolarHBondContact O-N 3.3Å |
| 62 | L | 51.5 | Low | 50.5 | Low | 127 Ų | 127 | 97.3 Ų | 97.3 | 67% | 0.665 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -80.5 | -30.7 | 174.8 | -69.6 | 176.2 | 0 | 0 | 0 | 112.8 | L60 S66 | L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 2.87Å; L62-S66 WeakPolarHBondContact O-CB 3.14Å; L62-S66 PolarHBondContact O-N 3.11Å; L62-S66 PolarHBondContact O-OG 2.81Å |
| 63 | S | 50.5 | Low | 50.7 | Low | 57 Ų | 57 | 96.1 Ų | 96.1 | 40% | 0.399 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.3 | -44.5 | 174.2 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | A59 L60 S66 M67 | A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.46Å; A59-S63 PolarHBondContact O-OG 3.37Å; L60-S63 PolarHBondContact O-N 2.76Å; L60-S63 PolarHBondContact O-OG 3.47Å; L60-S63 VanDerWaalsContact O-OG 3.14Å; S63-S66 WeakPolarHBondContact CA-OG 3.3Å; S63-S66 PolarHBondContact O-N 2.77Å; S63-S66 PolarHBondContact O-OG 3.2Å; S63-S66 VanDerWaalsContact O-OG 3.13Å; S63-M67 WeakPolarHBondContact O-CB 3.06Å; S63-M67 PolarHBondContact O-N 3.44Å |
| 64 | V | 55.2 | Low | 51 | Low | 93 Ų | 93 | 93.3 Ų | 93.3 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -41.5 | 172.3 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | L60 M67 A68 | L60-V64 VanDerWaalsContact O-CB 3.3Å; L60-V64 WeakPolarHBondContact O-CB 3.27Å; L60-V64 VanDerWaalsContact O-CG2 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 2.81Å; V64-M67 PolarHBondContact O-N 3.39Å; V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.5Å |
| 65 | G | 61 | Low | 51.1 | Low | 30 Ų | 30 | 102.1 Ų | 102.1 | 31% | 0.309 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P61 M67 A68 V69 | P61-G65 WeakPolarHBondContact O-CA 3.17Å; P61-G65 PolarHBondContact O-N 3.3Å; G65-M67 PolarHBondContact O-N 2.93Å; G65-A68 PolarHBondContact O-N 3.26Å; G65-V69 WeakPolarHBondContact O-CB 3.36Å; G65-V69 WeakPolarHBondContact O-CG2 3.4Å; G65-V69 PolarHBondContact O-N 3.41Å |
| 66 | S | 50.7 | Low | 51.4 | Low | 63 Ų | 63 | 101.8 Ų | 101.8 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69 | -32.9 | 177.5 | 58 | 0 | 0 | 0 | 0 | 112.7 | L62 S63 T70 | L62-S66 WeakPolarHBondContact O-CB 3.14Å; L62-S66 PolarHBondContact O-N 3.11Å; L62-S66 PolarHBondContact O-OG 2.81Å; S63-S66 WeakPolarHBondContact CA-OG 3.3Å; S63-S66 PolarHBondContact O-N 2.77Å; S63-S66 PolarHBondContact O-OG 3.2Å; S63-S66 VanDerWaalsContact O-OG 3.13Å; S66-T70 WeakPolarHBondContact O-CB 3.19Å; S66-T70 PolarHBondContact O-N 3.32Å; S66-T70 PolarHBondContact O-OG1 3.43Å |
| 67 | M | 49.8 | Very low | 51.9 | Low | 151 Ų | 151 | 95.7 Ų | 95.7 | 74% | 0.744 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74.2 | -33.2 | 174.8 | -160.2 | 164 | -171.8 | 0 | 0 | 112 | S63 V64 G65 G71 | S63-M67 WeakPolarHBondContact O-CB 3.06Å; S63-M67 PolarHBondContact O-N 3.44Å; V64-M67 PolarHBondContact O-N 3.39Å; G65-M67 PolarHBondContact O-N 2.93Å; M67-G71 WeakPolarHBondContact O-CA 3.35Å; M67-G71 PolarHBondContact O-N 3.13Å |
| 68 | A | 55.9 | Low | 52.1 | Low | 65 Ų | 65 | 91.4 Ų | 91.4 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.3 | -39.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V64 G65 G72 | V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.5Å; G65-A68 PolarHBondContact O-N 3.26Å; A68-G72 PolarHBondContact O-N 3.23Å |
| 69 | V | 58.1 | Low | 51.9 | Low | 91 Ų | 91 | 92 Ų | 92 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.3 | -45.2 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | G65 G72 L73 | G65-V69 WeakPolarHBondContact O-CB 3.36Å; G65-V69 WeakPolarHBondContact O-CG2 3.4Å; G65-V69 PolarHBondContact O-N 3.41Å; V69-G72 PolarHBondContact O-N 2.86Å; V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 VanDerWaalsContact O-CD1 3.29Å; V69-L73 WeakPolarHBondContact O-CD1 3.28Å; V69-L73 PolarHBondContact O-N 3.01Å |
| 70 | T | 52.5 | Low | 52.1 | Low | 74 Ų | 74 | 99.7 Ų | 99.7 | 45% | 0.454 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.1 | -42.9 | 176 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | S66 G72 L73 I74 | S66-T70 WeakPolarHBondContact O-CB 3.19Å; S66-T70 PolarHBondContact O-N 3.32Å; S66-T70 PolarHBondContact O-OG1 3.43Å; T70-G72 PolarHBondContact O-N 3.44Å; T70-L73 PolarHBondContact O-N 2.79Å; T70-I74 HydrophobicContact CG2-CD1 3.8Å; T70-I74 HydrophobicContact CG2-CG1 4.48Å; T70-I74 WeakPolarHBondContact O-CB 3.29Å; T70-I74 VanDerWaalsContact O-CD1 3.3Å; T70-I74 WeakPolarHBondContact O-CD1 3.27Å; T70-I74 WeakPolarHBondContact O-CG1 3.24Å; T70-I74 PolarHBondContact O-N 3.2Å |
| 71 | G | 52 | Low | 51.7 | Low | 36 Ų | 36 | 101.8 Ų | 101.8 | 37% | 0.371 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.2 | -42.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M67 I74 Y75 | M67-G71 WeakPolarHBondContact O-CA 3.35Å; M67-G71 PolarHBondContact O-N 3.13Å; G71-I74 PolarHBondContact O-N 2.9Å; G71-Y75 WeakPolarHBondContact O-CB 3.23Å; G71-Y75 PolarHBondContact O-N 2.87Å |
| 72 | G | 57.3 | Low | 51.5 | Low | 29 Ų | 29 | 101.9 Ų | 101.9 | 30% | 0.299 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.1 | -33.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A68 V69 T70 Y75 N76 | A68-G72 PolarHBondContact O-N 3.23Å; V69-G72 PolarHBondContact O-N 2.86Å; T70-G72 PolarHBondContact O-N 3.44Å; G72-Y75 PolarHBondContact O-N 3.49Å; G72-N76 WeakPolarHBondContact O-CB 3.46Å; G72-N76 PolarHBondContact O-N 2.82Å; G72-N76 PolarHBondContact O-ND2 2.87Å; G72-N76 VanDerWaalsContact O-ND2 3.11Å |
| 73 | L | 53.2 | Low | 51.4 | Low | 123 Ų | 123 | 101.2 Ų | 101.2 | 64% | 0.644 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.6 | -35 | 171.9 | -99.8 | 72.5 | 0 | 0 | 0 | 111.6 | V69 T70 | V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 VanDerWaalsContact O-CD1 3.29Å; V69-L73 WeakPolarHBondContact O-CD1 3.28Å; V69-L73 PolarHBondContact O-N 3.01Å; T70-L73 PolarHBondContact O-N 2.79Å |
| 74 | I | 51.7 | Low | 51.6 | Low | 87 Ų | 87 | 108.9 Ų | 108.9 | 45% | 0.446 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.3 | -40 | 173 | -66.6 | 164.7 | 0 | 0 | 0 | 110.3 | T70 G71 N76 G77 L91 | T70-I74 HydrophobicContact CG2-CD1 3.8Å; T70-I74 HydrophobicContact CG2-CG1 4.48Å; T70-I74 WeakPolarHBondContact O-CB 3.29Å; T70-I74 VanDerWaalsContact O-CD1 3.3Å; T70-I74 WeakPolarHBondContact O-CD1 3.27Å; T70-I74 WeakPolarHBondContact O-CG1 3.24Å; T70-I74 PolarHBondContact O-N 3.2Å; G71-I74 PolarHBondContact O-N 2.9Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 2.69Å; I74-G77 PolarHBondContact O-N 3.13Å; I74-L91 HydrophobicContact CD1-CD2 3.61Å; I74-L91 HydrophobicContact CG1-CD2 3.57Å; I74-L91 HydrophobicContact CG2-CD1 4.35Å |
| 75 | Y | 48.7 | Very low | 51.6 | Low | 216 Ų | 216 | 112.4 Ų | 112.4 | 85% | 0.847 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.8 | -29.3 | 178.6 | -144.7 | -93.2 | 0 | 0 | 0 | 112.9 | G71 G72 G77 | G71-Y75 WeakPolarHBondContact O-CB 3.23Å; G71-Y75 PolarHBondContact O-N 2.87Å; G72-Y75 PolarHBondContact O-N 3.49Å; Y75-G77 VanDerWaalsContact C-N 3.26Å; Y75-G77 PolarHBondContact O-N 3.36Å |
| 76 | N | 51.3 | Low | 51.5 | Low | 125 Ų | 125 | 112.8 Ų | 112.8 | 67% | 0.668 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -2.3 | 177.3 | -96.4 | -75.3 | 0 | 0 | 0 | 114.6 | G72 I74 V78 | G72-N76 WeakPolarHBondContact O-CB 3.46Å; G72-N76 PolarHBondContact O-N 2.82Å; G72-N76 PolarHBondContact O-ND2 2.87Å; G72-N76 VanDerWaalsContact O-ND2 3.11Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 2.69Å; N76-V78 HydrophobicContact CB-CG2 4.25Å; N76-V78 PolarHBondContact O-N 2.88Å |
| 77 | G | 50.8 | Low | 51.8 | Low | 56 Ų | 56 | 114.1 Ų | 114.1 | 58% | 0.577 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.7 | 23.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | I74 Y75 W79 | I74-G77 PolarHBondContact O-N 3.13Å; Y75-G77 VanDerWaalsContact C-N 3.26Å; Y75-G77 PolarHBondContact O-N 3.36Å; G77-W79 PolarHBondContact O-N 3.47Å |
| 78 | V | 50.5 | Low | 51.9 | Low | 117 Ų | 117 | 115 Ų | 115 | 71% | 0.709 | 64% | 0.635 | S | S | * | * | trans | -71.2 | -12.8 | -169.7 | 175 | 0 | 0 | 0 | 0 | 113.8 | N76 | N76-V78 HydrophobicContact CB-CG2 4.25Å; N76-V78 PolarHBondContact O-N 2.88Å | ||
| 79 | W | 44.2 | Very low | 52.3 | Low | 212 Ų | 212 | 114.8 Ų | 114.8 | 80% | 0.803 | 63% | 0.628 | S | S | * | * | trans | -113.7 | 77.5 | 176.5 | -93.1 | 45 | 0 | 0 | 0 | 112.6 | G77 K90 | G77-W79 PolarHBondContact O-N 3.47Å; W79-K90 HydrophobicContact CE3-CD 4.36Å; W79-K90 HydrophobicContact CZ3-CD 4.43Å | ||
| 80 | K | 52.8 | Low | 52.2 | Low | 190 Ų | 190 | 116.7 Ų | 116.7 | 83% | 0.826 | 63% | 0.629 | S | S | * | * | trans | -66.9 | 142.4 | 155.2 | -165.8 | -177.8 | 178 | 95.6 | 0 | 108.8 | ||||
| 81 | S | 41 | Very low | 52.6 | Low | 107 Ų | 107 | 116.7 Ų | 116.7 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | trans | 103.1 | 80.8 | 163.1 | -61.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 82 | S | 42.3 | Very low | 53.2 | Low | 90 Ų | 90 | 117.5 Ų | 117.5 | 63% | 0.629 | 63% | 0.629 | S | S | * | * | -171.1 | 106.1 | 116.9 | 172.1 | 0 | 0 | 0 | 0 | 109.6 | R84 | S82-R84 PolarHBondContact O-N 3.49Š| |||
| 83 | A | 49.5 | Very low | 53.6 | Low | 114 Ų | 114 | 120 Ų | 120 | 94% | 0.942 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 13.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 84 | R | 54.9 | Low | 54 | Low | 217 Ų | 217 | 117 Ų | 117 | 82% | 0.819 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -29.1 | -173.1 | -160.8 | 70.4 | -151.4 | 170.5 | 2.4 | 115.4 | S82 | S82-R84 PolarHBondContact O-N 3.49Š|
| 85 | F | 55.3 | Low | 54.4 | Low | 168 Ų | 168 | 114.8 Ų | 114.8 | 74% | 0.737 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -1 | -179 | -82.1 | -83.8 | 0 | 0 | 0 | 114 | P89 | F85-P89 HydrophobicContact CB-CG 4.24Å; F85-P89 WeakPolarHBondContact O-CD 3.15Å; F85-P89 WeakPolarHBondContact O-CG 3.46Å |
| 86 | G | 58.8 | Low | 55.6 | Low | 38 Ų | 38 | 110.1 Ų | 110.1 | 39% | 0.392 | 62% | 0.619 | S | S | . | * | trans | 67.7 | 161.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | F88 P89 | G86-F88 PolarHBondContact O-N 2.83Å; G86-P89 WeakPolarHBondContact O-CD 3.14Å | ||
| 87 | P | 56.2 | Low | 56.3 | Low | 91 Ų | 91 | 109.4 Ų | 109.4 | 59% | 0.591 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.2 | -18.8 | 179.2 | 25.1 | -32 | 0 | 0 | 0 | 113.2 | L91 | P87-L91 HydrophobicContact CB-CD1 4.4Å; P87-L91 WeakPolarHBondContact O-CB 3.36Å; P87-L91 WeakPolarHBondContact O-CD1 3.48Å; P87-L91 WeakPolarHBondContact O-CG 3.16Å; P87-L91 PolarHBondContact O-N 3.35Å |
| 88 | F | 53.4 | Low | 56.5 | Low | 169 Ų | 169 | 109 Ų | 109 | 74% | 0.741 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.5 | -51.3 | -172 | -83.3 | -87.6 | 0 | 0 | 0 | 116.5 | G86 K90 L91 A92 | G86-F88 PolarHBondContact O-N 2.83Å; F88-K90 VanDerWaalsContact C-N 3.3Å; F88-K90 PolarHBondContact O-N 2.97Å; F88-L91 PolarHBondContact O-N 3.39Å; F88-A92 WeakPolarHBondContact O-CB 3.31Å; F88-A92 PolarHBondContact O-N 2.87Å |
| 89 | P | 63.7 | Low | 57 | Low | 61 Ų | 61 | 109.7 Ų | 109.7 | 40% | 0.396 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.1 | -32.2 | -177.6 | 22.9 | -32.5 | 0 | 0 | 0 | 112.5 | F85 G86 A92 V93 | F85-P89 HydrophobicContact CB-CG 4.24Å; F85-P89 WeakPolarHBondContact O-CD 3.15Å; F85-P89 WeakPolarHBondContact O-CG 3.46Å; G86-P89 WeakPolarHBondContact O-CD 3.14Å; P89-A92 PolarHBondContact O-N 3.45Å; P89-V93 WeakPolarHBondContact O-CB 3.31Å; P89-V93 VanDerWaalsContact O-CG2 3.27Å; P89-V93 WeakPolarHBondContact O-CG2 3.39Å; P89-V93 PolarHBondContact O-N 2.97Å |
| 90 | K | 56.5 | Low | 58 | Low | 130 Ų | 130 | 102.3 Ų | 102.3 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.1 | -35.3 | 177.8 | -165.6 | 157.9 | 175.2 | 70.3 | 0 | 112.2 | W79 F88 A94 | W79-K90 HydrophobicContact CE3-CD 4.36Å; W79-K90 HydrophobicContact CZ3-CD 4.43Å; F88-K90 VanDerWaalsContact C-N 3.3Å; F88-K90 PolarHBondContact O-N 2.97Å; K90-A94 VanDerWaalsContact O-CB 3.24Å; K90-A94 WeakPolarHBondContact O-CB 3.42Å; K90-A94 PolarHBondContact O-N 3.17Å |
| 91 | L | 60.1 | Low | 58.6 | Low | 75 Ų | 75 | 98.1 Ų | 98.1 | 39% | 0.393 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.2 | -40 | 172.4 | -70.6 | 173.9 | 0 | 0 | 0 | 112.3 | I74 P87 F88 A94 G95 | I74-L91 HydrophobicContact CD1-CD2 3.61Å; I74-L91 HydrophobicContact CG1-CD2 3.57Å; I74-L91 HydrophobicContact CG2-CD1 4.35Å; P87-L91 HydrophobicContact CB-CD1 4.4Å; P87-L91 WeakPolarHBondContact O-CB 3.36Å; P87-L91 WeakPolarHBondContact O-CD1 3.48Å; P87-L91 WeakPolarHBondContact O-CG 3.16Å; P87-L91 PolarHBondContact O-N 3.35Å; F88-L91 PolarHBondContact O-N 3.39Å; L91-A94 PolarHBondContact O-N 3.35Å; L91-G95 PolarHBondContact O-N 3.3Å |
| 92 | A | 66.1 | Low | 59.2 | Low | 52 Ų | 52 | 95.1 Ų | 95.1 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.4 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F88 P89 G95 L96 | F88-A92 WeakPolarHBondContact O-CB 3.31Å; F88-A92 PolarHBondContact O-N 2.87Å; P89-A92 PolarHBondContact O-N 3.45Å; A92-G95 PolarHBondContact O-N 3.4Å; A92-L96 VanDerWaalsContact O-CB 3.29Å; A92-L96 WeakPolarHBondContact O-CB 3.28Å; A92-L96 WeakPolarHBondContact O-CD1 2.94Å; A92-L96 WeakPolarHBondContact O-CG 3.3Å; A92-L96 PolarHBondContact O-N 3.06Å |
| 93 | V | 64.9 | Low | 59.9 | Low | 83 Ų | 83 | 95.5 Ų | 95.5 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.7 | -42.1 | 177.9 | 173 | 0 | 0 | 0 | 0 | 111.5 | P89 G95 L96 L97 | P89-V93 WeakPolarHBondContact O-CB 3.31Å; P89-V93 VanDerWaalsContact O-CG2 3.27Å; P89-V93 WeakPolarHBondContact O-CG2 3.39Å; P89-V93 PolarHBondContact O-N 2.97Å; V93-G95 VanDerWaalsContact C-N 3.33Å; V93-G95 PolarHBondContact O-N 3.28Å; V93-L96 PolarHBondContact O-N 3.42Å; V93-L97 HydrophobicContact CG1-CD1 3.78Å; V93-L97 HydrophobicContact CG1-CG 4.39Å; V93-L97 WeakPolarHBondContact O-CB 3.2Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 2.97Å |
| 94 | A | 61.1 | Low | 60.3 | Low | 59 Ų | 59 | 93.1 Ų | 93.1 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K90 L91 G98 | K90-A94 VanDerWaalsContact O-CB 3.24Å; K90-A94 WeakPolarHBondContact O-CB 3.42Å; K90-A94 PolarHBondContact O-N 3.17Å; L91-A94 PolarHBondContact O-N 3.35Å; A94-G98 PolarHBondContact O-N 2.85Å |
| 95 | G | 61.2 | Low | 60.2 | Low | 40 Ų | 40 | 86.6 Ų | 86.6 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L91 A92 V93 G98 F99 | L91-G95 PolarHBondContact O-N 3.3Å; A92-G95 PolarHBondContact O-N 3.4Å; V93-G95 VanDerWaalsContact C-N 3.33Å; V93-G95 PolarHBondContact O-N 3.28Å; G95-G98 PolarHBondContact O-N 3Å; G95-F99 WeakPolarHBondContact O-CB 3.1Å; G95-F99 PolarHBondContact O-N 2.96Å |
| 96 | L | 72.5 | Confident | 60.1 | Low | 119 Ų | 119 | 81.9 Ų | 81.9 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 176 | -84.5 | 158.3 | 0 | 0 | 0 | 112 | A92 V93 F99 A100 | A92-L96 VanDerWaalsContact O-CB 3.29Å; A92-L96 WeakPolarHBondContact O-CB 3.28Å; A92-L96 WeakPolarHBondContact O-CD1 2.94Å; A92-L96 WeakPolarHBondContact O-CG 3.3Å; A92-L96 PolarHBondContact O-N 3.06Å; V93-L96 PolarHBondContact O-N 3.42Å; L96-F99 PolarHBondContact O-N 3.34Å; L96-A100 VanDerWaalsContact O-CB 3.25Å; L96-A100 WeakPolarHBondContact O-CB 3.33Å; L96-A100 PolarHBondContact O-N 3.39Å |
| 97 | L | 65.6 | Low | 59.8 | Low | 109 Ų | 109 | 84 Ų | 84 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67 | -42.9 | 175.7 | -74.4 | 169.1 | 0 | 0 | 0 | 111.3 | V93 F99 A100 V101 | V93-L97 HydrophobicContact CG1-CD1 3.78Å; V93-L97 HydrophobicContact CG1-CG 4.39Å; V93-L97 WeakPolarHBondContact O-CB 3.2Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 2.97Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 3.25Å; L97-A100 PolarHBondContact O-N 2.91Å; L97-V101 WeakPolarHBondContact O-CB 3.12Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 3.1Å |
| 98 | G | 55.5 | Low | 59.9 | Low | 49 Ų | 49 | 81.3 Ų | 81.3 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A94 G95 G102 | A94-G98 PolarHBondContact O-N 2.85Å; G95-G98 PolarHBondContact O-N 3Å; G98-G102 PolarHBondContact O-N 3.14Å |
| 99 | F | 60.9 | Low | 60 | Low | 131 Ų | 131 | 77.5 Ų | 77.5 | 58% | 0.575 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.8 | -40.5 | 176.6 | -174.9 | -99.4 | 0 | 0 | 0 | 112.3 | G95 L96 L97 G102 K103 | G95-F99 WeakPolarHBondContact O-CB 3.1Å; G95-F99 PolarHBondContact O-N 2.96Å; L96-F99 PolarHBondContact O-N 3.34Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 3.25Å; F99-G102 PolarHBondContact O-N 2.84Å; F99-K103 HydrophobicContact CD1-CG 4.04Å; F99-K103 HydrophobicContact CE1-CD 4.45Å; F99-K103 HydrophobicContact CE1-CG 3.72Å; F99-K103 HydrophobicContact CE2-CG 4.29Å; F99-K103 HydrophobicContact CG-CG 4.46Å; F99-K103 HydrophobicContact CZ-CD 4.23Å; F99-K103 HydrophobicContact CZ-CG 3.88Å; F99-K103 VanDerWaalsContact O-CB 3.24Å; F99-K103 WeakPolarHBondContact O-CB 3.21Å; F99-K103 VanDerWaalsContact O-CG 3.29Å; F99-K103 WeakPolarHBondContact O-CG 3.43Å; F99-K103 PolarHBondContact O-N 2.88Å |
| 100 | A | 65.2 | Low | 59.4 | Low | 56 Ų | 56 | 75.8 Ų | 75.8 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L96 L97 K103 A104 | L96-A100 VanDerWaalsContact O-CB 3.25Å; L96-A100 WeakPolarHBondContact O-CB 3.33Å; L96-A100 PolarHBondContact O-N 3.39Å; L97-A100 PolarHBondContact O-N 2.91Å; A100-K103 PolarHBondContact O-N 2.81Å; A100-A104 VanDerWaalsContact O-CB 3.23Å; A100-A104 WeakPolarHBondContact O-CB 3.33Å; A100-A104 PolarHBondContact O-N 3.14Å |
| 101 | V | 65.9 | Low | 59.2 | Low | 103 Ų | 103 | 77.9 Ų | 77.9 | 62% | 0.624 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.4 | -40.5 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | L97 A104 S105 | L97-V101 WeakPolarHBondContact O-CB 3.12Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 3.1Å; V101-A104 PolarHBondContact O-N 2.88Å; V101-S105 VanDerWaalsContact O-CB 3.27Å; V101-S105 WeakPolarHBondContact O-CB 3.11Å; V101-S105 PolarHBondContact O-N 2.73Å |
| 102 | G | 53.8 | Low | 58.9 | Low | 43 Ų | 43 | 77.8 Ų | 77.8 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G98 F99 Y106 | G98-G102 PolarHBondContact O-N 3.14Å; F99-G102 PolarHBondContact O-N 2.84Å; G102-Y106 WeakPolarHBondContact O-CB 3.11Å; G102-Y106 PolarHBondContact O-N 3.14Å |
| 103 | K | 57.9 | Low | 58.2 | Low | 99 Ų | 99 | 81 Ų | 81 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 175.4 | -79.8 | -73.2 | -173.9 | 177.7 | 0 | 112 | F99 A100 Y106 I107 | F99-K103 HydrophobicContact CD1-CG 4.04Å; F99-K103 HydrophobicContact CE1-CD 4.45Å; F99-K103 HydrophobicContact CE1-CG 3.72Å; F99-K103 HydrophobicContact CE2-CG 4.29Å; F99-K103 HydrophobicContact CG-CG 4.46Å; F99-K103 HydrophobicContact CZ-CD 4.23Å; F99-K103 HydrophobicContact CZ-CG 3.88Å; F99-K103 VanDerWaalsContact O-CB 3.24Å; F99-K103 WeakPolarHBondContact O-CB 3.21Å; F99-K103 VanDerWaalsContact O-CG 3.29Å; F99-K103 WeakPolarHBondContact O-CG 3.43Å; F99-K103 PolarHBondContact O-N 2.88Å; A100-K103 PolarHBondContact O-N 2.81Å; K103-Y106 PolarHBondContact O-N 2.05Å; K103-I107 WeakPolarHBondContact O-CD1 3.08Å; K103-I107 VanDerWaalsContact O-CG1 3.28Å; K103-I107 WeakPolarHBondContact O-CG1 3.48Å; K103-I107 PolarHBondContact O-N 3.03Å |
| 104 | A | 57 | Low | 57.8 | Low | 64 Ų | 64 | 79.3 Ų | 79.3 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A100 V101 Y106 I107 G108 | A100-A104 VanDerWaalsContact O-CB 3.23Å; A100-A104 WeakPolarHBondContact O-CB 3.33Å; A100-A104 PolarHBondContact O-N 3.14Å; V101-A104 PolarHBondContact O-N 2.88Å; A104-Y106 PolarHBondContact O-N 2.75Å; A104-I107 PolarHBondContact O-N 3.36Å; A104-G108 PolarHBondContact O-N 3.33Å |
| 105 | S | 52.6 | Low | 57.5 | Low | 80 Ų | 80 | 80.8 Ų | 80.8 | 56% | 0.559 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.7 | -31 | 175.6 | -168.8 | 0 | 0 | 0 | 0 | 112 | V101 T109 | V101-S105 VanDerWaalsContact O-CB 3.27Å; V101-S105 WeakPolarHBondContact O-CB 3.11Å; V101-S105 PolarHBondContact O-N 2.73Å; S105-T109 PolarHBondContact O-N 3.01Å; S105-T109 PolarHBondContact O-OG1 3.48Å |
| 106 | Y | 52.3 | Low | 57.1 | Low | 68 Ų | 68 | 84.2 Ų | 84.2 | 27% | 0.267 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -80.9 | -46.3 | -179.6 | -159.7 | -107.1 | 0 | 0 | 0 | 114.2 | S54 G102 K103 A104 G108 T109 C110 | S54-Y106 WeakPolarHBondContact CA-OH 2.77Å; S54-Y106 WeakPolarHBondContact CB-OH 3.09Å; S54-Y106 PolarHBondContact O-OH 3.11Å; S54-Y106 PolarHBondContact OG-OH 3.19Å; G102-Y106 WeakPolarHBondContact O-CB 3.11Å; G102-Y106 PolarHBondContact O-N 3.14Å; K103-Y106 PolarHBondContact O-N 2.05Å; A104-Y106 PolarHBondContact O-N 2.75Å; Y106-G108 PolarHBondContact O-N 3.16Å; Y106-T109 PolarHBondContact O-N 2.96Å; Y106-C110 PolarHBondContact O-N 3.29Å |
| 107 | I | 54.2 | Low | 56 | Low | 84 Ų | 84 | 86 Ų | 86 | 43% | 0.431 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 174.9 | -64.2 | 163.5 | 0 | 0 | 0 | 109.7 | W47 K103 A104 R111 | W47-I107 HydrophobicContact CH2-CG2 4.38Å; K103-I107 WeakPolarHBondContact O-CD1 3.08Å; K103-I107 VanDerWaalsContact O-CG1 3.28Å; K103-I107 WeakPolarHBondContact O-CG1 3.48Å; K103-I107 PolarHBondContact O-N 3.03Å; A104-I107 PolarHBondContact O-N 3.36Å; I107-R111 VanDerWaalsContact O-CB 3.31Å; I107-R111 WeakPolarHBondContact O-CB 3.39Å; I107-R111 PolarHBondContact O-N 3.21Å |
| 108 | G | 56.5 | Low | 55.3 | Low | 34 Ų | 34 | 82.2 Ų | 82.2 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A104 Y106 R111 S112 | A104-G108 PolarHBondContact O-N 3.33Å; Y106-G108 PolarHBondContact O-N 3.16Å; G108-R111 PolarHBondContact O-N 3.35Å; G108-S112 PolarHBondContact O-N 3.2Å; G108-S112 PolarHBondContact O-OG 3.05Å; G108-S112 VanDerWaalsContact O-OG 3.13Å |
| 109 | T | 55.8 | Low | 54.9 | Low | 88 Ų | 88 | 84.4 Ų | 84.4 | 54% | 0.54 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 179.2 | -57 | 0 | 0 | 0 | 0 | 112.2 | S105 Y106 S112 K113 | S105-T109 PolarHBondContact O-N 3.01Å; S105-T109 PolarHBondContact O-OG1 3.48Å; Y106-T109 PolarHBondContact O-N 2.96Å; T109-S112 PolarHBondContact O-N 3.38Å; T109-K113 PolarHBondContact O-N 3.26Å |
| 110 | C | 52.6 | Low | 54.1 | Low | 25 Ų | 25 | 86.3 Ų | 86.3 | 17% | 0.169 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 172.6 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | C50 Y106 S112 K113 F114 | C50-C110 WeakPolarHBondContact CB-SG 3.31Å; C50-C110 WeakPolarHBondContact SG-CB 3.35Å; C50-C110 CovalentContact SG-SG 2.05Å; C50-C110 PolarHBondContact SG-SG 2.89Å; Y106-C110 PolarHBondContact O-N 3.29Å; C110-S112 VanDerWaalsContact C-N 3.31Å; C110-S112 PolarHBondContact O-N 2.99Å; C110-K113 PolarHBondContact O-N 2.94Å; C110-F114 WeakPolarHBondContact O-CD2 3.43Å; C110-F114 PolarHBondContact O-N 3.46Å; C110-F114 VanDerWaalsContact O-N 3.14Å |
| 111 | R | 51.9 | Low | 53.3 | Low | 174 Ų | 174 | 91.7 Ų | 91.7 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.8 | -35.3 | 178.2 | -161 | 178.4 | 178.5 | 176.2 | -1.9 | 113.2 | I107 G108 F114 Q115 | I107-R111 VanDerWaalsContact O-CB 3.31Å; I107-R111 WeakPolarHBondContact O-CB 3.39Å; I107-R111 PolarHBondContact O-N 3.21Å; G108-R111 PolarHBondContact O-N 3.35Å; R111-F114 WeakPolarHBondContact O-CB 3.28Å; R111-F114 PolarHBondContact O-N 2.82Å; R111-Q115 VanDerWaalsContact O-CG 3.31Å; R111-Q115 WeakPolarHBondContact O-CG 3.38Å; R111-Q115 PolarHBondContact O-N 2.81Å |
| 112 | S | 53.8 | Low | 52.5 | Low | 73 Ų | 73 | 89.1 Ų | 89.1 | 51% | 0.51 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.3 | -34.9 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | G108 T109 C110 Q115 E116 | G108-S112 PolarHBondContact O-N 3.2Å; G108-S112 PolarHBondContact O-OG 3.05Å; G108-S112 VanDerWaalsContact O-OG 3.13Å; T109-S112 PolarHBondContact O-N 3.38Å; C110-S112 VanDerWaalsContact C-N 3.31Å; C110-S112 PolarHBondContact O-N 2.99Å; S112-Q115 PolarHBondContact O-N 3.42Å; S112-E116 WeakPolarHBondContact O-CB 3.46Å; S112-E116 PolarHBondContact O-N 3.02Å |
| 113 | K | 50.6 | Low | 52.4 | Low | 119 Ų | 119 | 93 Ų | 93 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.1 | -32.2 | 174.4 | -71.8 | -72.3 | 169.6 | -170.5 | 0 | 112.6 | T109 C110 E116 L117 | T109-K113 PolarHBondContact O-N 3.26Å; C110-K113 PolarHBondContact O-N 2.94Å; K113-E116 IonicContact NZ-OE1 3.75Å; K113-E116 PolarHBondContact NZ-OE1 3.26Å; K113-E116 PolarHBondContact O-N 3.29Å; K113-L117 WeakPolarHBondContact O-CB 3.45Å; K113-L117 WeakPolarHBondContact O-CG 3.33Å; K113-L117 PolarHBondContact O-N 3.09Å |
| 114 | F | 56.6 | Low | 51.5 | Low | 48 Ų | 48 | 91.9 Ų | 91.9 | 21% | 0.211 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 168.8 | -92.9 | -89.8 | 0 | 0 | 0 | 113.7 | V43 V46 C110 R111 E116 G118 | V43-F114 HydrophobicContact CG2-CE1 4.5Å; V46-F114 VanDerWaalsContact C-CZ 3.5Å; V46-F114 HydrophobicContact CB-CE1 3.44Å; V46-F114 VanDerWaalsContact CB-CE1 3.44Å; V46-F114 HydrophobicContact CB-CE2 4.15Å; V46-F114 HydrophobicContact CB-CZ 3.18Å; V46-F114 HydrophobicContact CG1-CD1 4.39Å; V46-F114 HydrophobicContact CG1-CD2 4.4Å; V46-F114 HydrophobicContact CG1-CE1 3.47Å; V46-F114 VanDerWaalsContact CG1-CE1 3.47Å; V46-F114 HydrophobicContact CG1-CE2 3.49Å; V46-F114 VanDerWaalsContact CG1-CE2 3.49Å; V46-F114 HydrophobicContact CG1-CZ 3Å; V46-F114 HydrophobicContact CG2-CE1 4.32Å; V46-F114 HydrophobicContact CG2-CZ 4.44Å; C110-F114 WeakPolarHBondContact O-CD2 3.43Å; C110-F114 PolarHBondContact O-N 3.46Å; C110-F114 VanDerWaalsContact O-N 3.14Å; R111-F114 WeakPolarHBondContact O-CB 3.28Å; R111-F114 PolarHBondContact O-N 2.82Å; F114-E116 VanDerWaalsContact C-N 3.34Å; F114-G118 WeakPolarHBondContact O-CA 3.39Å; F114-G118 PolarHBondContact O-N 3.31Å |
| 115 | Q | 54.6 | Low | 51.1 | Low | 90 Ų | 90 | 94.9 Ų | 94.9 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70 | -35.4 | 174.2 | -69.6 | -178.8 | 28.1 | 0 | 0 | 111.5 | R111 S112 L117 I119 | R111-Q115 VanDerWaalsContact O-CG 3.31Å; R111-Q115 WeakPolarHBondContact O-CG 3.38Å; R111-Q115 PolarHBondContact O-N 2.81Å; S112-Q115 PolarHBondContact O-N 3.42Å; Q115-L117 VanDerWaalsContact C-N 3.34Å; Q115-I119 HydrophobicContact CB-CB 4.32Å; Q115-I119 HydrophobicContact CB-CD1 4.5Å; Q115-I119 HydrophobicContact CB-CG1 4.45Å; Q115-I119 HydrophobicContact CG-CD1 3.85Å; Q115-I119 HydrophobicContact CG-CG1 4.28Å; Q115-I119 CarbonylContact O-C 3.58Å; Q115-I119 WeakPolarHBondContact O-CA 3.5Å; Q115-I119 WeakPolarHBondContact O-CB 2.9Å; Q115-I119 PolarHBondContact O-N 2.94Å |
| 116 | E | 53.9 | Low | 50.6 | Low | 113 Ų | 113 | 93.1 Ų | 93.1 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.6 | -31.2 | 176.1 | -168.9 | 166.6 | 82.1 | 0 | 0 | 112.7 | S112 K113 F114 | S112-E116 WeakPolarHBondContact O-CB 3.46Å; S112-E116 PolarHBondContact O-N 3.02Å; K113-E116 IonicContact NZ-OE1 3.75Å; K113-E116 PolarHBondContact NZ-OE1 3.26Å; K113-E116 PolarHBondContact O-N 3.29Å; F114-E116 VanDerWaalsContact C-N 3.34Å |
| 117 | L | 48.7 | Very low | 50.1 | Low | 156 Ų | 156 | 96.3 Ų | 96.3 | 82% | 0.817 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -98.1 | -16.7 | 179.2 | -65.4 | 172.6 | 0 | 0 | 0 | 114.7 | K113 Q115 | K113-L117 WeakPolarHBondContact O-CB 3.45Å; K113-L117 WeakPolarHBondContact O-CG 3.33Å; K113-L117 PolarHBondContact O-N 3.09Å; Q115-L117 VanDerWaalsContact C-N 3.34Å |
| 118 | G | 50.3 | Low | 49.6 | Very low | 30 Ų | 30 | 103.1 Ų | 103.1 | 31% | 0.309 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -138.6 | 0.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | F114 | F114-G118 WeakPolarHBondContact O-CA 3.39Å; F114-G118 PolarHBondContact O-N 3.31Å |
| 119 | I | 48.7 | Very low | 49.3 | Very low | 94 Ų | 94 | 107.4 Ų | 107.4 | 48% | 0.482 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -122.1 | 15.1 | 170.1 | -54.6 | -168.1 | 0 | 0 | 0 | 111 | Q115 D121 | Q115-I119 HydrophobicContact CB-CB 4.32Å; Q115-I119 HydrophobicContact CB-CD1 4.5Å; Q115-I119 HydrophobicContact CB-CG1 4.45Å; Q115-I119 HydrophobicContact CG-CD1 3.85Å; Q115-I119 HydrophobicContact CG-CG1 4.28Å; Q115-I119 CarbonylContact O-C 3.58Å; Q115-I119 WeakPolarHBondContact O-CA 3.5Å; Q115-I119 WeakPolarHBondContact O-CB 2.9Å; Q115-I119 PolarHBondContact O-N 2.94Å; I119-D121 PolarHBondContact O-N 2.83Å |
| 120 | K | 42.1 | Very low | 48.9 | Very low | 172 Ų | 172 | 114.8 Ų | 114.8 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -92.6 | 29.1 | 166.2 | -138.3 | 174 | 174.8 | 172.3 | 0 | 112.7 | ||
| 121 | D | 50 | Low | 48.4 | Very low | 168 Ų | 168 | 122 Ų | 122 | 90% | 0.898 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -146.7 | 77.8 | 155.1 | -80.7 | -57.2 | 0 | 0 | 0 | 109.4 | I119 | I119-D121 PolarHBondContact O-N 2.83Š|
| 122 | G | 47.4 | Very low | 48.1 | Very low | 49 Ų | 49 | 116.6 Ų | 116.6 | 51% | 0.505 | 66% | 0.656 | S | S | . | * | S | Bend | trans | 116.5 | 113.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 123 | P | 53.4 | Low | 47.8 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | cis | -135.9 | 99.4 | 48.9 | 30.9 | -9.3 | 0 | 0 | 0 | 112 | S125 | P123-S125 PolarHBondContact O-N 3.45Š| ||
| 124 | G | 38.3 | Very low | 47.4 | Very low | 76 Ų | 76 | 120 Ų | 120 | 78% | 0.784 | 69% | 0.69 | S | S | * | * | trans | -85.2 | 104.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | G126 | G124-G126 PolarHBondContact O-N 3.21Š| ||
| 125 | S | 49.6 | Very low | 46.7 | Very low | 127 Ų | 127 | 120.1 Ų | 120.1 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | trans | -41.6 | 111.8 | 165.5 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | P123 | P123-S125 PolarHBondContact O-N 3.45Š| ||
| 126 | G | 40.9 | Very low | 46.3 | Very low | 43 Ų | 43 | 122.8 Ų | 122.8 | 44% | 0.443 | 73% | 0.73 | S | S | . | * | trans | -149 | 149.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | G124 W128 | G124-G126 PolarHBondContact O-N 3.21Å; G126-W128 PolarHBondContact O-N 2.94Å | ||
| 127 | P | 41.5 | Very low | 45.9 | Very low | 135 Ų | 135 | 120.7 Ų | 120.7 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 26.1 | -175.3 | 27.7 | -30.2 | 0 | 0 | 0 | 114.2 | ||
| 128 | W | 44.9 | Very low | 45.6 | Very low | 227 Ų | 227 | 121.6 Ų | 121.6 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 16.4 | -170.3 | -81 | 59.9 | 0 | 0 | 0 | 114.2 | G126 R130 | G126-W128 PolarHBondContact O-N 2.94Å; W128-R130 PolarHBondContact O-N 3.31Å |
| 129 | S | 50.1 | Low | 45.6 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -72.1 | 29.5 | 173.4 | -57.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 130 | R | 47.4 | Very low | 45.4 | Very low | 242 Ų | 242 | 134.1 Ų | 134.1 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -135.5 | 47.3 | 173.8 | -150 | -160.4 | -76.7 | -130.2 | 5.4 | 112.5 | W128 | W128-R130 PolarHBondContact O-N 3.31Š|
| 131 | K | 42.5 | Very low | 45.5 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | trans | -162.8 | 84 | 159.1 | -138.7 | 170.3 | 179.4 | -171.4 | 0 | 111.8 | ||||
| 132 | G | 44.5 | Very low | 45.2 | Very low | 60 Ų | 60 | 131.5 Ų | 131.5 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | trans | -65.1 | 148.3 | 154 | 0 | 0 | 0 | 0 | 0 | 109 | C134 | G132-C134 PolarHBondContact O-N 3.02Å; G132-C134 VanDerWaalsContact O-N 3.1Å | ||
| 133 | P | 46.8 | Very low | 45.1 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -73.1 | -0.7 | -171.2 | -16.7 | 31.2 | 0 | 0 | 0 | 115.8 | ||
| 134 | C | 43.6 | Very low | 44.9 | Very low | 129 Ų | 129 | 138 Ų | 138 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -117.4 | 75.4 | -175.1 | -62 | 0 | 0 | 0 | 0 | 111 | G132 | G132-C134 PolarHBondContact O-N 3.02Å; G132-C134 VanDerWaalsContact O-N 3.1Å | ||
| 135 | G | 40.8 | Very low | 45.1 | Very low | 51 Ų | 51 | 137.4 Ų | 137.4 | 53% | 0.526 | 76% | 0.763 | S | S | . | * | trans | -96.5 | 150 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G137 | G135-G137 PolarHBondContact O-N 2.84Š| ||
| 136 | P | 46.3 | Very low | 45.1 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 96% | 0.955 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 102.2 | -178.3 | 29.3 | -31.7 | 0 | 0 | 0 | 109.1 | ||
| 137 | G | 46.7 | Very low | 45.6 | Very low | 69 Ų | 69 | 144.5 Ų | 144.5 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.7 | -0.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | G135 | G135-G137 PolarHBondContact O-N 2.84Š|
| 138 | H | 41.3 | Very low | 45.9 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -108.5 | 101.4 | 177.8 | -92.9 | -80.9 | 0 | 0 | 0 | 113 | H140 | H138-H140 PolarHBondContact O-N 3.18Š| ||
| 139 | R | 51.5 | Low | 46.2 | Very low | 214 Ų | 214 | 141 Ų | 141 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | -74 | 88.6 | 162 | -64.2 | -170 | -164 | -166.2 | 5.6 | 109.7 | ||||
| 140 | H | 42.7 | Very low | 45.9 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | -174.6 | 108.1 | 146.3 | -115.9 | 73 | 0 | 0 | 0 | 110 | H138 | H138-H140 PolarHBondContact O-N 3.18Š| ||
| 141 | C | 45.1 | Very low | 45.5 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -105.6 | 111.5 | 161.1 | -72.1 | 0 | 0 | 0 | 0 | 107.1 | H143 | C141-H143 PolarHBondContact O-N 3.42Š| ||
| 142 | H | 44.6 | Very low | 45.4 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -82 | 61.8 | 170.5 | -160 | -74.6 | 0 | 0 | 0 | 109.2 | ||||
| 143 | H | 44.9 | Very low | 45.2 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | trans | -124.4 | 107.8 | 168.8 | -94.2 | -71.1 | 0 | 0 | 0 | 106.6 | W29 C141 C145 | W29-H143 AromaticContact CH2-ND1 3.81Å; W29-H143 AromaticContact CZ2-CE1 3.54Å; W29-H143 AromaticContact CZ2-ND1 3.16Å; W29-H143 WeakPolarHBondContact CZ2-ND1 3.16Å; C141-H143 PolarHBondContact O-N 3.42Å; H143-C145 VanDerWaalsContact C-N 3.27Å; H143-C145 PolarHBondContact O-N 3.31Å | ||
| 144 | E | 48.3 | Very low | 44.6 | Very low | 184 Ų | 184 | 142 Ų | 142 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -65.1 | 89.6 | 173.6 | -68.1 | -172.6 | 95.6 | 0 | 0 | 109 | ||||
| 145 | C | 42 | Very low | 44.2 | Very low | 64 Ų | 64 | 140.4 Ų | 140.4 | 43% | 0.432 | 75% | 0.753 | S | S | . | * | trans | -102.3 | 111.9 | 170.9 | -143.3 | 0 | 0 | 0 | 0 | 107 | H143 E147 C148 | H143-C145 VanDerWaalsContact C-N 3.27Å; H143-C145 PolarHBondContact O-N 3.31Å; C145-E147 PolarHBondContact O-N 3.25Å; C145-C148 PolarHBondContact O-N 3.02Å | ||
| 146 | E | 51.5 | Low | 44.2 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -52 | -25.7 | 178.1 | -92.1 | -131.9 | 95.9 | 0 | 0 | 112.8 | C148 K149 | E146-C148 VanDerWaalsContact C-N 3.31Å; E146-C148 PolarHBondContact O-N 3.37Å; E146-K149 WeakPolarHBondContact O-CB 3.47Å; E146-K149 PolarHBondContact O-N 3Å |
| 147 | E | 50.7 | Low | 43.7 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -69.2 | -23.7 | -179.7 | -62.9 | -68.5 | 92.1 | 0 | 0 | 113.7 | C145 | C145-E147 PolarHBondContact O-N 3.25Š|
| 148 | C | 48.6 | Very low | 43.1 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 72% | 0.716 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -82.9 | -17.5 | 176.3 | -77.6 | 0 | 0 | 0 | 0 | 113.1 | C145 E146 K150 | C145-C148 PolarHBondContact O-N 3.02Å; E146-C148 VanDerWaalsContact C-N 3.31Å; E146-C148 PolarHBondContact O-N 3.37Å; C148-K150 PolarHBondContact O-N 3.02Å |
| 149 | K | 49.9 | Very low | 42.9 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -19.7 | 178.7 | -167.1 | 171.7 | 179.3 | 178.9 | 0 | 112.4 | E146 | E146-K149 WeakPolarHBondContact O-CB 3.47Å; E146-K149 PolarHBondContact O-N 3Å |
| 150 | K | 44.4 | Very low | 42 | Very low | 186 Ų | 186 | 145.7 Ų | 145.7 | 81% | 0.809 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 2.3 | -170.5 | -131.1 | 172.3 | -173.4 | 171.7 | 0 | 115.5 | C148 | C148-K150 PolarHBondContact O-N 3.02Š|
| 151 | K | 39.1 | Very low | 41.9 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -110.2 | 108.1 | 178.2 | -148 | 161.2 | -175.9 | -174.4 | 0 | 110.7 | Q153 | K151-Q153 PolarHBondContact O-N 3.4Š| ||
| 152 | P | 40.7 | Very low | 41.7 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -62.1 | 128.7 | 170.8 | 24.8 | -30.4 | 0 | 0 | 0 | 108.9 | A154 | P152-A154 PolarHBondContact O-N 3.43Š| ||
| 153 | Q | 39.3 | Very low | 41.6 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -60.3 | 127.7 | 175.7 | -65.3 | -164.6 | -9.5 | 0 | 0 | 110 | K151 | K151-Q153 PolarHBondContact O-N 3.4Š| ||
| 154 | A | 35.5 | Very low | 41.4 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -123.1 | 105.5 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | P152 | P152-A154 PolarHBondContact O-N 3.43Š| ||
| 155 | A | 34.2 | Very low | 41 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | 55.7 | 130.7 | 151 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 156 | P | 40.3 | Very low | 40.9 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | trans | -83.9 | 128.1 | 160.4 | 32.1 | -26.3 | 0 | 0 | 0 | 110.7 | ||||
| 157 | A | 36.6 | Very low | 40.1 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | trans | -102.7 | 97.9 | 164 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 158 | E | 34.9 | Very low | 39.3 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 84% | 0.841 | 85% | 0.849 | S | S | * | * | trans | -0.6 | 129.9 | 135.5 | -163.9 | 150.3 | 72.8 | 0 | 0 | 116.9 | ||||
| 159 | Q | 36.8 | Very low | 38.5 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 94% | 0.939 | 86% | 0.86 | S | S | * | * | trans | -135.9 | 105.4 | 156.1 | -74.3 | -171.3 | -19.9 | 0 | 0 | 109.1 | ||||
| 160 | A | 31.1 | Very low | 37.5 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 100% | 1.397 | 87% | 0.866 | S | S | * | * | trans | -106.3 | 0 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 160 of 160 residues in 130.2 ms
(Link to these results)